Monomers

Acrylic acid 4-acetylphenyl ester

Identifiers

IUPAC name
(4-acetylphenyl) prop-2-enoate
InchI
InChI=1S/C11H10O3/c1-3-11(13)14-10-6-4-9(5-7-10)8(2)12/h3-7H,1H2,2H3
InchI Key
FFWDBWLGIPNATR-UHFFFAOYSA-N
SMILES
C=CC(=O)Oc1ccc(cc1)C(=O)C
Canonical SMILES
CC(=O)C1=CC=C(C=C1)OC(=O)C=C
Isomeric SMILES
CC(=O)C1=CC=C(C=C1)OC(=O)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C11H10O3
Heavy Atom Count
14
Molecular Weight
190.198
Exact Molecular Weight
190.063
Valence Electrons
72
Radical Electrons
0
tPSA
43.37
MolLogP
1.9806
H Bond Acceptors
3
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 24 24  0  0  0  0  0  0  0  0999 V2000
    4.9736   -0.6915    0.1203 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2310   -0.8655   -0.9415 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8054   -0.5736   -0.9755 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1873   -0.7766   -2.0452 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1202   -0.0862    0.1196 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7577    0.1804    0.0475 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2576    1.4131   -0.3313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0957    1.6682   -0.3999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9841    0.6614   -0.0802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5342   -0.5802    0.3018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1596   -0.8001    0.3593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4098    0.8981   -0.1425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8703    2.0252   -0.4889 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3443   -0.1954    0.2045 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0199   -0.9252    0.0829 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5795   -0.3160    1.0549 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7209   -1.2517   -1.8453 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9473    2.2033   -0.5821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5179    2.6193   -0.6919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1834   -1.4001    0.5615 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1841   -1.7969    0.6661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9928   -1.1071   -0.3481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3959    0.0515   -0.0856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2965   -0.3545    1.3133 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
  9 12  1  0
 12 13  2  0
 12 14  1  0
 11  6  1  0
  1 15  1  0
  1 16  1  0
  2 17  1  0
  7 18  1  0
  8 19  1  0
 10 20  1  0
 11 21  1  0
 14 22  1  0
 14 23  1  0
 14 24  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers